SCHEMBL30004064

SCHEMBL30004064

CCOC(=O)Oc1cc(C)c(OC(=O)OCC)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
KDM4E B2RXH2 7/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TYMS P04818 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP4F2 P78329 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23271882 1.00 HTT (0.63) HTTKDM4EMAPTTP53GAA
SCHEMBL23271855 0.90 HTT (0.58) HTTKDM4EMAPTTP53GAA
SCHEMBL23271745 0.88 HTT (0.56) HTTKDM4EMAPTTP53GAA
SCHEMBL23271828 0.87 HTT (0.47) HTTKDM4EMAPTTP53GAA
SCHEMBL30003099 0.87 HTT (0.47) HTTKDM4EMAPTTP53GAA
SCHEMBL23271766 0.86 HTT (0.55) HTTKDM4EMAPTTP53GAA
SCHEMBL23271924 0.85 HTT (0.53) HTTKDM4EMAPTTP53GAA
SCHEMBL23271671 0.85 HTT (0.53) HTTKDM4EMAPTTP53GAA
SCHEMBL23271823 0.85 HTT (0.53) HTTKDM4EMAPTTP53GAA
SCHEMBL23271849 0.85 HTT (0.53) HTTKDM4EMAPTTP53GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed